BAY-1128688

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H31FN2O3
Molecular Weight	462.5557
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC=C(C3=CC(F)=CN=C3)[C@@]1(C)CC[C@]4([H])C5=C(CC[C@@]24[H])C=C(C=C5)C(=O)N(C)CCC(O)=O

InChI

InChIKey=JFRWOHRGXFCADF-XVTSZCMISA-N

InChI=1S/C28H31FN2O3/c1-28-11-9-22-21-5-4-18(27(34)31(2)12-10-26(32)33)13-17(21)3-6-23(22)25(28)8-7-24(28)19-14-20(29)16-30-15-19/h4-5,7,13-16,22-23,25H,3,6,8-12H2,1-2H3,(H,32,33)/t22-,23-,25+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H31FN2O3
Molecular Weight	462.5557
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:16:54 GMT 2023` Edited by `admin` on `Sat Dec 16 14:16:54 GMT 2023`
Record UNII	IZ2GRM2YZB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BAY-1128688

Code

English

.BETA.-ALANINE, N-((17-(5-FLUORO-3-PYRIDINYL)ESTRA-1,3,5(10),16-TETRAEN-3-YL)CARBONYL)-N-METHYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

71542153

Created by admin on Sat Dec 16 14:16:54 GMT 2023 , Edited by admin on Sat Dec 16 14:16:54 GMT 2023

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CAS

1428988-21-9

Created by admin on Sat Dec 16 14:16:54 GMT 2023 , Edited by admin on Sat Dec 16 14:16:54 GMT 2023

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SMS_ID

300000042420

Created by admin on Sat Dec 16 14:16:54 GMT 2023 , Edited by admin on Sat Dec 16 14:16:54 GMT 2023

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FDA UNII

IZ2GRM2YZB

Created by admin on Sat Dec 16 14:16:54 GMT 2023 , Edited by admin on Sat Dec 16 14:16:54 GMT 2023

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